5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine

C26H33ClN10O2S — CID 155688727

IUPAC5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCc1nc(CNC(C)C)ccc1-n1cc(-c2nc(NC3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ncc2Cl)cn1
InChIInChI=1S/C26H33ClN10O2S/c1-17(2)28-12-21-5-6-23(18(3)32-21)37-14-19(11-31-37)25-22(27)13-29-26(34-25)33-20-7-9-36(10-8-20)40(38,39)24-15-35(4)16-30-24/h5-6,11,13-17,20,28H,7-10,12H2,1-4H3,(H,29,33,34)
InChIKeyUQSQDJPPTIYZJM-UHFFFAOYSA-N
MW585.14 g/mol
LogP3.18
Rot. Bonds9

About 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine

5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 155688727) has the molecular formula C26H33ClN10O2S and a molecular weight of 585.14 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine
PubChem CID155688727
Molecular FormulaC26H33ClN10O2S
Molecular Weight585.14 g/mol
Exact Mass584.22
IUPAC Name5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCc1nc(CNC(C)C)ccc1-n1cc(-c2nc(NC3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ncc2Cl)cn1
InChIInChI=1S/C26H33ClN10O2S/c1-17(2)28-12-21-5-6-23(18(3)32-21)37-14-19(11-31-37)25-22(27)13-29-26(34-25)33-20-7-9-36(10-8-20)40(38,39)24-15-35(4)16-30-24/h5-6,11,13-17,20,28H,7-10,12H2,1-4H3,(H,29,33,34)
InChIKeyUQSQDJPPTIYZJM-UHFFFAOYSA-N
XLogP3.18
TPSA135.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.14
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[1-[8-(2-chlorophenyl)-9-(1-methylpyrazol-3-yl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156304
N-[1-[8-(2-chlorophenyl)-9-(1-methylpyrazol-4-yl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156309
US11472791, Example 25
CID 155688443
5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
CID 127050851
US9156811, Ddd73494
CID 117905391
US11472791, Example 276
CID 155688451
US11472791, Example 235
CID 155688458
US11472791, Example 102
CID 155688478
US11472791, Example 32
CID 155688495
US11472791, Example 254
CID 155688508
US11472791, Example 269
CID 155688541
US11472791, Example 253
CID 155688546

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine (CID 155688727) is 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine is Cc1nc(CNC(C)C)ccc1-n1cc(-c2nc(NC3CCN(S(=O)(=O)c4cn(C)cn4)CC3)ncc2Cl)cn1.
What is the InChIKey of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is UQSQDJPPTIYZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN10O2S/c1-17(2)28-12-21-5-6-23(18(3)32-21)37-14-19(11-31-37)25-22(27)13-29-26(34-25)33-20-7-9-36(10-8-20)40(38,39)24-15-35(4)16-30-24/h5-6,11,13-17,20,28H,7-10,12H2,1-4H3,(H,29,33,34).
What are the key properties of 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 585.14 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-[1-[2-methyl-6-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155688727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).